John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6xq61hVOJRo SpectraBase Spectrum ID=2vNk1WeV25b

(accessed ).
(-)-2,3-CIS-2-HYDROXYMETHYL-3-[(5'-METHOXY-3',4'METHYLENEDIOXYPHENYL)-(3'',4'',5''-TRIMETHOXYPHENYL)-METHYL]-BUTYROLACTONE
SpectraBase Compound ID 6xq61hVOJRo
InChI InChI=1S/C23H26O9/c1-26-16-5-12(6-17(27-2)21(16)29-4)20(15-10-30-23(25)14(15)9-24)13-7-18(28-3)22-19(8-13)31-11-32-22/h5-8,14-15,20,24H,9-11H2,1-4H3/t14-,15-,20?/m1/s1
InChIKey XQWLRAUXZRVNAY-YNCRUDOASA-N
Mol Weight 446.45 g/mol
Molecular Formula C23H26O9
Exact Mass 446.157683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vNk1WeV25b
Name (-)-2,3-CIS-2-HYDROXYMETHYL-3-[(5'-METHOXY-3',4'METHYLENEDIOXYPHENYL)-(3'',4'',5''-TRIMETHOXYPHENYL)-METHYL]-BUTYROLACTONE
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26O9
InChI InChI=1S/C23H26O9/c1-26-16-5-12(6-17(27-2)21(16)29-4)20(15-10-30-23(25)14(15)9-24)13-7-18(28-3)22-19(8-13)31-11-32-22/h5-8,14-15,20,24H,9-11H2,1-4H3/t14-,15-,20?/m1/s1
InChIKey XQWLRAUXZRVNAY-YNCRUDOASA-N
Literature Reference Author J.L.WU,N.LI,T.HASEGAWA,J.I.SAKAI,T.MITSUI,H.OGURA,T.KATAOKA, S.OKA,M.KIUCHI,A.TOM
Literature Reference Citation J.NAT.PROD.,69,790(2006)
Literature Reference DOI 10.1021/np0600447
Molecular Weight 446.454 g/mol
Solvent CDCl3
Source File Reference UWMZ18380
SpectraBase Batch ID 2sYNKb830Ha